SCHEMBL2178409

SCHEMBL2178409

COCCCOc1cc(CCc2cc(F)ccc2F)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
KCNH2 Q12809 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2177700 0.93 GCK (0.51) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2178979 0.90 GCK (0.51) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2178412 0.88 GCK (0.66) GCKKCNH2
SCHEMBL2176615 0.87 SMN1; SMN2 (0.51) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2178805 0.86 GCK (0.51) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2178574 0.85 MAPT (0.49) GCKSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2176271 0.84 SMN1; SMN2 (0.53) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2180022 0.83 RAB9A (0.48) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2178466 0.83 KCNK3 (0.48) GCKSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2179784 0.83 SMN1; SMN2 (0.54) GCKSMN1; SMN2BRD4MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885SMN1; SMN2 4303/4885BRD4 2256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.